J1.887.188B
TL;DR: J1.887.188B (CAS 126715-87-5) is a chemical compound with molecular formula C28H24O17 and molecular weight 632.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5R,13R)-13-[(1S)-1,2-dihydroxyethyl]-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-5-yl] 3,4,5-trihydroxybenzoate
Also Known As: J1.887.188B, (2R,12R)-2alpha-(3,4,5-Trihydroxyphenyl)-3alpha-(galloyloxy)-5,8,9-trihydroxy-12-[(S)-1,2-dihydroxyethyl]-8,9-(methanoxymethano)-3,4,8,9-tetrahydro-2H-furo[2,3-h]-1-benzopyran-10-one, (2R,3R)-8-[(1S)-1,2-Dihydroxyethyl]-3,4,7a,8,10,10a-hexahydro-5,7a,10a-trihydroxy-10-oxo-2-(3,4,5-trihydroxyphenyl)-2H-furo[3a(2),4a(2):4,5]furo[2,3-h]-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, (4R,5R,13R)-13-[(1S)-1,2-dihydroxyethyl]-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-5-yl 3,4,5-trihydroxybenzoate, 3,4,5-Trihydroxybenzoic acid 2alpha-(3,4,5-trihydroxyphenyl)-8beta-[(S)-1,2-dihydroxyethyl]-5,7a,10a-trihydroxy-10-oxo-3,4,7a,8,10,10a-hexahydro-2H-furo[3 ,4 :4,5]furo[2,3-h][1]benzopyran-3alpha-yl ester
| Molecular Formula | C28H24O17 |
|---|---|
| Molecular Weight | 632.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 632.1014 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 126715-87-5 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC3=C2C4(C(=O)O[C@@H](C4(O3)O)[C@H](CO)O)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| InChIKey | DKFWYWRZDCPNOB-CXBNSELASA-N |
Product Overview
J1.887.188B (CAS 126715-87-5), with molecular formula C28H24O17 and molecular weight 632.10 g/mol. IUPAC: [(4R,5R,13R)-13-[(1S)-1,2-dihydroxyethyl]-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-5-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of J1.887.188B
Property Insights of J1.887.188B
The XLogP value of -0.2 indicates that J1.887.188B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting J1.887.188B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.887.188B has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.887.188B?
The CAS number of J1.887.188B is 126715-87-5.
What is the molecular formula of J1.887.188B?
The molecular formula of J1.887.188B is C28H24O17.
What is the molecular weight of J1.887.188B?
The molecular weight of J1.887.188B is 632.10 g/mol.
Where can I buy J1.887.188B?
You can request a quote for J1.887.188B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.887.188B?
Yes, KEHONG BIO provides custom synthesis services for J1.887.188B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.